Chemical ID: 4565322

COc1ccc2c(c1)c3c([nH]2)c(=O)n(c(=O)[nH]3)c4ccccc4OC
Chemical ID:
4565322
Name [?]:
None
SMILES [?]:
COc1ccc2c(c1)c3c([nH]2)c(=O)n(c(=O)[nH]3)c4ccccc4OC
InChi [?]:
InChI=1/C18H15N3O4/c1-24-10-7-8-12-11(9-10)15-16(19-12)17(22)21(18(23)20-15)13-5-3-4-6-14(13)25-2/h3-9,19H,1-2H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,20,21,19,22,4,5,8,3,7,6,18,23,9,10,12,15,11,17,14,13,16,2,24/rA:25nCOCCCCCCCCNCONCONCCCCCCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s6s10;s10;d12;s12;s14;d15;s9s15;s14;s18;d19;s20;d21;d18s22;s23;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15N3O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:7.81821
Area:513.368
Solvation:-5.01599
Coulombic:-65.3982
Bond Count [?]
All:28
Single:19
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:337.33
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.51
LogP (Chemaxon):3.09

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Descriptor Annotations

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